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68311-77-3 | Quinoline, 2,2'-dithiobis[4,6-dimethyl-
CAS No: 68311-77-3 Catalog No: AG005S12 MDL No:
Product Description
Catalog Number:
AG005S12
Chemical Name:
Quinoline, 2,2'-dithiobis[4,6-dimethyl-
CAS Number:
68311-77-3
Molecular Formula:
C22H20N2S2
Molecular Weight:
376.5376
IUPAC Name:
2-[(4,6-dimethylquinolin-2-yl)disulfanyl]-4,6-dimethylquinoline
InChI:
InChI=1S/C22H20N2S2/c1-13-5-7-19-17(9-13)15(3)11-21(23-19)25-26-22-12-16(4)18-10-14(2)6-8-20(18)24-22/h5-12H,1-4H3
InChI Key:
CPISBBJHBOZWFA-UHFFFAOYSA-N
SMILES:
Cc1ccc2c(c1)c(C)cc(n2)SSc1cc(C)c2c(n1)ccc(c2)C
Properties
Complexity:
431
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
376.107g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
376.536g/mol
Monoisotopic Mass:
376.107g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
76.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6.7
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